SCHEMBL944723

SCHEMBL944723

Clc1ccc(Cn2[c]nc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 2/20 0.49
NOD1 Q9Y239 2/20 0.49
TNF P01375 1/20 0.49
CXCL8 P10145 1/20 0.49
SOS1 Q07889 1/20 0.49
NOD2 Q9HC29 1/20 0.49
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
ALDH1A1 P00352 1/20 0.43
TBXA2R P21731 3/20 0.43
HIF1A Q16665 2/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL356141 0.88 TNF (0.47) SMN1; SMN2CYP11B1CYP11B2TNFALDH1A1
SCHEMBL1650533 0.85 RAB9A (0.48) SMN1; SMN2HTTRAB9AALDH1A1TBXA2R
SCHEMBL2541667 0.81 HTT (0.52) TDP1SMN1; SMN2HTTRAB9AALDH1A1
SCHEMBL945956 0.79 TNF (0.50) TDP1SMN1; SMN2HTTRAB9ANOD1
SCHEMBL7833447 0.78 TBXA2R (0.44) TDP1SMN1; SMN2CYP11B1CYP11B2MAPK1
SCHEMBL2103982 0.73 POLB (0.39) TDP1MAPK1HTTALDH1A1LMNA
SCHEMBL1381878 0.73 SLC9A1 (0.44) TDP1SMN1; SMN2MAPK1HTTRAB9A
SCHEMBL5000372 0.72 MAPT (0.38) TDP1SMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL1300677 0.71 MAPT (0.50) SMN1; SMN2HTTRAB9ALMNAKMT2A
SCHEMBL8450128 0.71 TSHR (0.49) SMN1; SMN2MAPK1HTTRAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed
CN-102448458-B Methods and compositions for treating flaviviridae virus infections UNIV LELAND STANFORD JUNIOR 2015-07-22 CN disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A TDP1 151/4885SMN1; SMN2 600/4885CYP11B1 558/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A TDP1 170/4885SMN1; SMN2 544/4885CYP11B1 623/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.